5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole

C14H19N3O2 — CID 136570458

IUPAC5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole
SMILESCCn1nc(C)cc1-c1cnc(C2CCOCC2)o1
InChIInChI=1S/C14H19N3O2/c1-3-17-12(8-10(2)16-17)13-9-15-14(19-13)11-4-6-18-7-5-11/h8-9,11H,3-7H2,1-2H3
InChIKeyLLCRRBGZDQHHAX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.76
Rot. Bonds3

About 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole

5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole (PubChem CID 136570458) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole
PubChem CID136570458
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole
SMILESCCn1nc(C)cc1-c1cnc(C2CCOCC2)o1
InChIInChI=1S/C14H19N3O2/c1-3-17-12(8-10(2)16-17)13-9-15-14(19-13)11-4-6-18-7-5-11/h8-9,11H,3-7H2,1-2H3
InChIKeyLLCRRBGZDQHHAX-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole (CID 136570458) is 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole is CCn1nc(C)cc1-c1cnc(C2CCOCC2)o1.
What is the InChIKey of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole?
The InChIKey is LLCRRBGZDQHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17-12(8-10(2)16-17)13-9-15-14(19-13)11-4-6-18-7-5-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole?
5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole has a molecular weight of 261.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-methylpyrazol-3-yl)-2-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 136570458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).